METHYL 4-HYDROXYBENZOATE-2,3,5,6-D4

Base Information

• Chemical Name: METHYL 4-HYDROXYBENZOATE-2,3,5,6-D4
• CAS No.: 362049-51-2
• Molecular Formula: C8H4 D4 O3
• Molecular Weight: 156.118
• Mol file: 362049-51-2.mol

Synonyms:METHYL P-HYDROXYBENZOATE-2,3,5,6-D4;METHYL 4-HYDROXYBENZOATE-2,3,5,6-D4

Chemical Property of METHYL 4-HYDROXYBENZOATE-2,3,5,6-D4

Chemical Property:

• PSA: 46.53000
• LogP: 1.17880
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)

Purity/Quality:

99% ^*data from raw suppliers

Methyl Paraben-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (Methyl 4-Hydroxybenzoate-2,3,5,6-d4) Labelled Methylparaben (M325660). It is used as preservative in foods, beverages and cosmetics.

Technology Process of METHYL 4-HYDROXYBENZOATE-2,3,5,6-D4

There total 3 articles about METHYL 4-HYDROXYBENZOATE-2,3,5,6-D4 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → methyl 4-hydroxybenzoate-2,3,5,6-d4 (362049-51-2)

Guidance literature:

With water-d2; isopropyl alcohol; at 120 ℃; for 0.0166667h; Reagent/catalyst; Flow reactor;

DOI:10.1246/BCSJ.20200325

Reference yield: 99.0%

methanol (67-56-1) + [2′,3′,5′,6′-D4]-4′-hydroxybenzoic acid (152404-47-2) → methyl 4-hydroxybenzoate-2,3,5,6-d4 (362049-51-2)

Guidance literature:

With sulfuric acid; at 65 ℃; for 6h;

DOI:10.1002/chem.202000933

Reference yield:

4-hydroxy-benzoic acid (99-96-7) → methyl 4-hydroxybenzoate-2,3,5,6-d4 (362049-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; water-d2 / isopropyl alcohol / 48 h / 100 °C / Inert atmosphere

2: sulfuric acid / 6 h / 65 °C

With sulfuric acid; palladium 10% on activated carbon; water-d2; In isopropyl alcohol;

DOI:10.1002/chem.202000933

upstream raw materials:

methanol

[2′,3′,5′,6′-D4]-4′-hydroxybenzoic acid

4-hydroxy-benzoic acid

methyl 4-hydroxylbenzoate